CAS 51079-10-8 Ethyl 3-indolylglyoxylate (HCID 101242)

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Basic information

CAS: 51079-10-8
Standard SMILES: CCOC(=O)C(=O)c1c[nH]c2ccccc12
InChIKey: WTPMFFQBDYIARF-UHFFFAOYSA-N
Molecular formula: C12H11NO3
Average molar mass: 217.22 g/mol
Monoisotopic mass: 217.07389321

Names & identifiers

Preferred name: Ethyl 3-indolylglyoxylate
IUPAC: ethyl 2-(1H-indol-3-yl)-2-oxoacetate
English name: (1H-Indol-3-yl)-oxo-acetic acid ethyl ester
Molecular formula: C12H11NO3
Molecular weight: 217.22

Names & synonyms

51079-10-8ethyl 2-(1H-indol-3-yl)-2-oxoacetateEthyl indol-3-ylglyoxylateETHYL 3-INDOLYLGLYOXYLATEEthyl indole-3-glyoxylate6U8Q4H6QFUNSC-402543DTXSID40199083NSC 402543ETHYL .ALPHA.-OXO-1H-INDOLE-3-ACETATERefChem:200852DTXCID70121574

Show more names

α-Oxo-1H-indole-3-acetic acid ethyl ester1H-Indole-3-acetic acid, α-oxo-, ethyl ester1-(3-cyanophenyl)-3-[[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methyl]urea

ETHYL ALPHA-OXO-1H-INDOLE-3-ACETATEWTPMFFQBDYIARF-UHFFFAOYSA-N(1H-Indol-3-yl)-oxo-acetic acid ethyl esterETHYL 2-(INDOL-3-YL)-2-OXOACETATEMFCD00085450Ethyl 3-indoleglyoxylateEthyl 1H-indol-3-yl(oxo)acetateEthyl 2-(3-Indolyl)-2-oxoacetate

Database identifiers

CAS: 51079-10-8
PubChem CID: 101242
DTXSID: DTXSID40199083
UNII: 6U8Q4H6QFU
EC Number: 256-954-5
Nikkaji: J261.631I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 59.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 290

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Light yellow to yellow Solid
FDA UNII: 6 U8Q4H6QFU · 6U8Q4H6QFU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses(1H-Indol-3-yl)-oxo-acetic Acid Ethyl Ester is a starting material in synthesizing Indole-3-butyric Acid-d4 (I577802). A labelled Indolebutyric Acid. Used to stimulate root formation of plant clippings. Suitable for plant cell culture tested.